4-[[6,8-bis(sulfanyl)octanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[6,8-bis(sulfanyl)octanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[6,8-bis(sulfanyl)octanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(6,8-dimercapto-1-oxooctyl)amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[6,8-bis(sulfanyl)octanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[(6,8-dimercaptooctanoylamino)methyl]cyclohexanecarboxylic acid Formula: C16H29NO3S2 MolecularWeight: 347.53636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CCCCC(CCS)S)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)CCCCC(CCS)S)C(=O)O

InChI

InChI=1S/C16H29NO3S2/c18-15(4-2-1-3-14(22)9-10-21)17-11-12-5-7-13(8-6-12)16(19)20/h12-14,21-22H,1-11H2,(H,17,18)(H,19,20)